CID 477649

3-amino-7-chloro-quinoxaline-2-carbonitrile

Structural Information

Molecular Formula
C9H5ClN4
SMILES
C1=CC2=C(C=C1Cl)N=C(C(=N2)N)C#N
InChI
InChI=1S/C9H5ClN4/c10-5-1-2-6-7(3-5)13-8(4-11)9(12)14-6/h1-3H,(H2,12,14)
InChIKey
JPKSBAXQWMTXTI-UHFFFAOYSA-N
Compound name
3-amino-7-chloroquinoxaline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

204.02028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02756 142.5
[M+Na]+ 227.00950 155.5
[M-H]- 203.01300 143.3
[M+NH4]+ 222.05410 158.6
[M+K]+ 242.98344 149.1
[M+H-H2O]+ 187.01754 129.2
[M+HCOO]- 249.01848 156.7
[M+CH3COO]- 263.03413 153.9
[M+Na-2H]- 224.99495 149.7
[M]+ 204.01973 138.1
[M]- 204.02083 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.